ethyl 2-[[2-(4-methoxyquinolin-2-yl)carbonylpyrazolidin-1-yl]carbothioylamino]ethanoate

Systemtic Name: ethyl 2-[[2-(4-methoxyquinolin-2-yl)carbonylpyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: ethyl 2-[[2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carbothioyl]amino]acetate CAS Name: 2-[[[2-[(4-methoxy-2-quinolinyl)-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carbothioyl]amino]acetate Traditional Name: 2-[[2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carbothioyl]amino]acetic acid ethyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)N1CCCN1C(=O)C2=NC3=CC=CC=C3C(=C2)OC

Isomeric SMILES

CCOC(=O)CNC(=S)N1CCCN1C(=O)C2=NC3=CC=CC=C3C(=C2)OC

InChI

InChI=1S/C19H22N4O4S/c1-3-27-17(24)12-20-19(28)23-10-6-9-22(23)18(25)15-11-16(26-2)13-7-4-5-8-14(13)21-15/h4-5,7-8,11H,3,6,9-10,12H2,1-2H3,(H,20,28)